6-tert-butyl-2,3,4-trimethylbenzoic acid | 16372-46-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-tert-butyl-2,3,4-trimethylbenzoic acid
• 英文别名: 6-tert-Butyl-2,3,4-trimethyl-benzoesaeure
• CAS: 16372-46-6
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: GUDHPRRLMFHOKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-tert-butyl-2,3,4-trimethylbenzoic acid 在 硝酸 、 乙酸酐 作用下， 生成 2-tert-butyl-4,5,6-trimethyl-3-nitro-benzoic acid
  参考文献：
  名称：

  Nest materials and some chemical characteristics of nests of a New World swarm-founding polistine wasp,Polybia paulista(Hymenoptera Vespidae)

  摘要：

  Nest material, nitrogen and amino acid composition of nests Were examined in a New World swarm-founding polistine wasp, Polybia paulista. This wasp used minute vegetable chips, Which Were a dominant material, plant hairs, and mud and/or inorganic particles as nest building materials. A SEM observation and nitrogen and amino acid contents indicated that the amount of oral secretion used for construction and maintenance of the nests was quite small, compared With that used in Polistes nests. Such a small amount of oral secretion used for nest building is considered to be associated with their social organization (division of labor) and nest material. This study hypothesized that the amounts of oral secretion used for nest building are determined by an interaction among social organization, nest material and environmental factors, such as precipitation.Twenty-four amino acids were detected from protein in the nests of P. paulista, of which serine, glycine, alanine, valine, proline, aspartic acid and glutamic acid were major components. Amino acid composition of the protein in the nests of P. paulista differed distinctly from those of other so far known polistine and vespine wasps. The present result supports the view that amino acid composition of the protein in nests reflects phylogenetical relationships among wasps.

  DOI：

  10.1080/08927014.2001.9522766
• 作为产物：
  描述：

  2-bromo-1-tert-butyl-3,4,5-trimethylbenzene 在 二氧化碳 、 magnesium 作用下， 生成 6-tert-butyl-2,3,4-trimethylbenzoic acid
  参考文献：
  名称：

  Nest materials and some chemical characteristics of nests of a New World swarm-founding polistine wasp,Polybia paulista(Hymenoptera Vespidae)

  摘要：

  Nest material, nitrogen and amino acid composition of nests Were examined in a New World swarm-founding polistine wasp, Polybia paulista. This wasp used minute vegetable chips, Which Were a dominant material, plant hairs, and mud and/or inorganic particles as nest building materials. A SEM observation and nitrogen and amino acid contents indicated that the amount of oral secretion used for construction and maintenance of the nests was quite small, compared With that used in Polistes nests. Such a small amount of oral secretion used for nest building is considered to be associated with their social organization (division of labor) and nest material. This study hypothesized that the amounts of oral secretion used for nest building are determined by an interaction among social organization, nest material and environmental factors, such as precipitation.Twenty-four amino acids were detected from protein in the nests of P. paulista, of which serine, glycine, alanine, valine, proline, aspartic acid and glutamic acid were major components. Amino acid composition of the protein in the nests of P. paulista differed distinctly from those of other so far known polistine and vespine wasps. The present result supports the view that amino acid composition of the protein in nests reflects phylogenetical relationships among wasps.

  DOI：

  10.1080/08927014.2001.9522766

文献信息

• Sterically Hindered CarbonylO-Oxides and Dioxiranes ? (6-tert-Butyl-2,3,4-trimethylphenyl)phenylcarbonylO-Oxide and (6-tert-Butyl-2,3,4-trimethylphenyl)phenyldioxirane
  作者：Kerstin Schroeder、Wolfram Sander

  DOI：10.1002/ejoc.200400437

  日期：2005.2

  corresponding ketone 3b. The isomeric (6-tert-butyl-2,3,4-trimethylphenyl)phenyldioxirane (2b) could also be synthesized and characterized by NMR spectroscopy. With a half-life time of 20 min at 20 °C this dioxirane rearranges to the isochroman derivative 11 as the only product. Plausible mechanisms for this rearrangement, which involves the hydroxylation of a non-activated C−H bond, are discussed. (©

  (6-tert-Butyl-2,3,4-trimethylphenyl)phenylcarbonyl O-oxide (1b) 是通过重氮化合物 6b 在有机玻璃和溶液中的光氧化生成的，并通过 UV/Vis 光谱和其光-和热化学。在 230 K 下为 4.5 分钟，1b 的半衰期比二甲基酮 O-氧化物 (1a) 的半衰期小得多。唯一明确检测到的 1b 热产物是相应的酮 3b。异构 (6-叔丁基-2,3,4-三甲基苯基) 苯基二环氧乙烷 (2b) 也可以合成并通过 NMR 光谱表征。在 20 °C 下，该二环氧乙烷的半衰期为 20 分钟，重排为异色满衍生物 11 作为唯一产物。讨论了这种重排的合理机制，其中涉及非活化 CH 键的羟基化。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim,
• Akkerman,O.S., Recueil des Travaux Chimiques des Pays-Bas, 1967, vol. 86, p. 1018 - 1024
  作者：Akkerman,O.S.

  DOI：——

  日期：——